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Chemical ID: 5860801
Chemical ID:
5860801
Name [?]:
4-chloro-N-[3-methyl-1-(1-naphthylmethyleneaminocarbamoyl)butyl]-benzamide
SMILES [?]:
CC(C)CC(C(=O)NN=Cc1cccc2c1cccc2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H24ClN3O2/c1-16(2)14-22(27-23(29)18-10-12-20(25)13-11-18)24(30)28-26-15-19-8-5-7-17-6-3-4-9-21(17)19/h3-13,15-16,22H,14H2,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,3,19,18,13,20,14,12,17,25,29,26,28,4,10,2,15,24,11,27,16,5,22,6,30,9,21,8,23,7/E:(1,2)(10,11)(12,13)/rA:30cCCCCCCONNCCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;w9;s10;s11;d12;s13;d14;d11s15;s16;d17;s18;s15d19;s5;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24ClN3O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8612 |
Area: | 659.843 |
Solvation: | -3.63486 |
Coulombic: | -44.7187 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 421.919 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.01 |
LogP (Chemaxon): | 5.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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